SCHEMBL12943137

SCHEMBL12943137

C[C@]12CCC3C(CC4(CC4)C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21CCC(=O)O1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.78
▸ AR P10275 12/20 0.78
▸ LMNA P02545 2/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ PDK1 Q15118 3/20 0.40
▸ PDK2 Q15119 3/20 0.40
▸ PDK3 Q15120 3/20 0.40
▸ PDK4 Q16654 3/20 0.40
▸ NR1I2 O75469 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13768598 0.88 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL16572807 0.88 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12998963 0.88 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12943046 0.88 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL13768461 0.88 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL13768601 0.88 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL12942944 0.87 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL12942958 0.86 PGR (0.77) PGRARLMNAABCC4ABCB11
SCHEMBL12998918 0.86 PGR (0.82) PGRARLMNAABCC4ABCB11
SCHEMBL12943135 0.83 PGR (0.62) PGRARLMNAABCC4ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987239-B2 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives Bayer Intellectual Property GbmH (DE) 2015-03-24 — — US disclosed
US-8987239-B2 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives Bayer Intellectual Property GbmH (DE) 2015-03-24 — — US disclosed
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative CYP17A1, CYP19A1, HSD17B7 PGR 29/4885AR 48/4885LMNA 430/4885
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 PGR 57/4885AR 33/4885LMNA 1657/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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